Information card for entry 1549622

Structure parameters

• Formula: C66 H44 N10 O8 Zn
• Calculated formula: C66 H44 N10 O8 Zn
• SMILES: [Zn]1234([n]5ccccc5c5[n]1c(c1[n]2cccc1)cc(c5)c1ccc(N2c5ccccc5Oc5c2cccc5)cc1)[n]1ccccc1c1[n]3c(cc(c1)c1ccc(N2c3ccccc3Oc3c2cccc3)cc1)c1[n]4cccc1.O=N(=O)[O-].O=N(=O)[O-]
• Title of publication: Organic emitter integrating aggregation-induced delayed fluorescence and room-temperature phosphorescence characteristics, and its application in time-resolved luminescence imaging.
• Authors of publication: Ni, Fan; Zhu, Zece; Tong, Xiao; Xie, Mingjuan; Zhao, Qiang; Zhong, Cheng; Zou, Yang; Yang, Chuluo
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 28
• Pages of publication: 6150 - 6155
• a: 13.3069 ± 0.0005 Å
• b: 18.6034 ± 0.0009 Å
• c: 27.4104 ± 0.0012 Å
• α: 90°
• β: 102.321 ± 0.002°
• γ: 90°
• Cell volume: 6629.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0767
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1908
• Weighted residual factors for all reflections included in the refinement: 0.2004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No